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Information card for entry 1547152
Preview
| Coordinates | 1547152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 O2 |
|---|---|
| Calculated formula | C17 H24 O2 |
| SMILES | O=C1[C@@H]2[C@H]3CCC(=CC[C@@]3(CC(=O)[C@@]2(CC1)C)C)C |
| Title of publication | The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation |
| Authors of publication | John A. Enquist Jr; Brian M. Stoltz |
| Journal of publication | Nature |
| Year of publication | 2008 |
| Journal volume | 453 |
| Pages of publication | 1228 - 1231 |
| a | 7.4937 ± 0.0002 Å |
| b | 9.0345 ± 0.0002 Å |
| c | 21.4487 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1452.12 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.394 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200832 (current) | 2017-09-13 | cif/ Adding structures of 1547152 via cif-deposit CGI script. |
1547152.cif |
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